6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine

C23H27N5O2S — CID 26843160

IUPAC6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1
InChIInChI=1S/C23H27N5O2S/c1-3-19-6-10-21(11-7-19)31(29,30)28-16-14-27(15-17-28)23-13-12-22(25-26-23)24-20-8-4-18(2)5-9-20/h4-13H,3,14-17H2,1-2H3,(H,24,25)
InChIKeyRBBLZUTWLMTHPL-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.60
Rot. Bonds6

About 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine

6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine (PubChem CID 26843160) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
PubChem CID26843160
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1
InChIInChI=1S/C23H27N5O2S/c1-3-19-6-10-21(11-7-19)31(29,30)28-16-14-27(15-17-28)23-13-12-22(25-26-23)24-20-8-4-18(2)5-9-20/h4-13H,3,14-17H2,1-2H3,(H,24,25)
InChIKeyRBBLZUTWLMTHPL-UHFFFAOYSA-N
XLogP3.60
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
N-(4-methylphenyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 7178093
N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843164
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843165
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
N-phenyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 44827469

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine?
The IUPAC name of 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine (CID 26843160) is 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccc(C)cc4)nn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine?
The InChIKey is RBBLZUTWLMTHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-3-19-6-10-21(11-7-19)31(29,30)28-16-14-27(15-17-28)23-13-12-22(25-26-23)24-20-8-4-18(2)5-9-20/h4-13H,3,14-17H2,1-2H3,(H,24,25).
What are the key properties of 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine?
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine has a molecular weight of 437.57 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine is sourced from PubChem (CID 26843160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).